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	hartrees
Energy at 0K	-438.117821
Energy at 298.15K
HF Energy	-437.729142
Nuclear repulsion energy	56.003877

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3167	3167
2	A'	3064	3064
3	A'	2740	2740
4	A'	1483	1483
5	A'	1358	1358
6	A'	1103	1103
7	A'	801	801
8	A'	722	722
9	A"	3163	3163
10	A"	1470	1470
11	A"	972	972
12	A"	258	258

Atom	x (Å)	y (Å)	z (Å)
C1	-0.048	1.155	0.000
S2	-0.048	-0.669	0.000
H3	1.290	-0.816	0.000
H4	-1.107	1.465	0.000
H5	0.436	1.563	0.903
H6	0.436	1.563	-0.903

	C1	S2	H3	H4	H5	H6
C1		1.8237	2.3821	1.1033	1.1028	1.1028
S2	1.8237		1.3459	2.3822	2.4557	2.4557
H3	2.3821	1.3459		3.3087	2.6840	2.6840
H4	1.1033	2.3822	3.3087		1.7903	1.7903
H5	1.1028	2.4557	2.6840	1.7903		1.8062
H6	1.1028	2.4557	2.6840	1.7903	1.8062

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	96.280	S2	C1	H4	106.333
S2	C1	H5	111.713	S2	C1	H6	111.713
H4	C1	H5	108.485	H4	C1	H6	108.485
H5	C1	H6	109.947

All results from a given calculation for CH₃SH (Methanethiol)

using model chemistry: QCISD(T)=FULL/cc-pV(D+d)Z

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for CH3SH (Methanethiol)

using model chemistry: QCISD(T)=FULL/cc-pV(D+d)Z

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)